5-bromo-3-ethyl-6-fluoro-1H-indole

C10H9BrFN — CID 145066823

IUPAC5-bromo-3-ethyl-6-fluoro-1H-indole
SMILESCCc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C10H9BrFN/c1-2-6-5-13-10-4-9(12)8(11)3-7(6)10/h3-5,13H,2H2,1H3
InChIKeyMONFWWXXGSYKTM-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.63
Rot. Bonds1

About 5-bromo-3-ethyl-6-fluoro-1H-indole

5-bromo-3-ethyl-6-fluoro-1H-indole (PubChem CID 145066823) has the molecular formula C10H9BrFN and a molecular weight of 242.09 g/mol. Its IUPAC name is 5-bromo-3-ethyl-6-fluoro-1H-indole.

Molecular Properties

Compound Name5-bromo-3-ethyl-6-fluoro-1H-indole
PubChem CID145066823
Molecular FormulaC10H9BrFN
Molecular Weight242.09 g/mol
Exact Mass240.99
IUPAC Name5-bromo-3-ethyl-6-fluoro-1H-indole
SMILESCCc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C10H9BrFN/c1-2-6-5-13-10-4-9(12)8(11)3-7(6)10/h3-5,13H,2H2,1H3
InChIKeyMONFWWXXGSYKTM-UHFFFAOYSA-N
XLogP3.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-6-fluoro-1H-indole?
The IUPAC name of 5-bromo-3-ethyl-6-fluoro-1H-indole (CID 145066823) is 5-bromo-3-ethyl-6-fluoro-1H-indole.
What is the SMILES notation for 5-bromo-3-ethyl-6-fluoro-1H-indole?
The canonical SMILES for 5-bromo-3-ethyl-6-fluoro-1H-indole is CCc1c[nH]c2cc(F)c(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-6-fluoro-1H-indole?
The InChIKey is MONFWWXXGSYKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN/c1-2-6-5-13-10-4-9(12)8(11)3-7(6)10/h3-5,13H,2H2,1H3.
What are the key properties of 5-bromo-3-ethyl-6-fluoro-1H-indole?
5-bromo-3-ethyl-6-fluoro-1H-indole has a molecular weight of 242.09 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-6-fluoro-1H-indole is sourced from PubChem (CID 145066823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).